Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 10:27:27 UTC |
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Update Date | 2021-09-26 23:05:12 UTC |
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HMDB ID | HMDB0252540 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Furo[3,2-b]pyridine |
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Description | Furo[3,2-b]pyridine belongs to the class of organic compounds known as furopyridines. These are aromatic heterocyclic compounds containing a furopyridine ring system, which consists of a furan ring fused to a pyridine ring. Based on a literature review a significant number of articles have been published on Furo[3,2-b]pyridine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Furo[3,2-b]pyridine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Furo[3,2-b]pyridine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | InChI=1S/C7H5NO/c1-2-7-6(8-4-1)3-5-9-7/h1-5H |
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Synonyms | Value | Source |
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Furo(3,2-b)pyridine | MeSH |
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Chemical Formula | C7H5NO |
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Average Molecular Weight | 119.123 |
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Monoisotopic Molecular Weight | 119.037113785 |
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IUPAC Name | furo[3,2-b]pyridine |
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Traditional Name | furo[3,2-b]pyridine |
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CAS Registry Number | Not Available |
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SMILES | O1C=CC2=C1C=CC=N2 |
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InChI Identifier | InChI=1S/C7H5NO/c1-2-7-6(8-4-1)3-5-9-7/h1-5H |
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InChI Key | YRTCKZIKGWZNCU-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as furopyridines. These are aromatic heterocyclic compounds containing a furopyridine ring system, which consists of a furan ring fused to a pyridine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Furopyridines |
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Sub Class | Not Available |
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Direct Parent | Furopyridines |
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Alternative Parents | |
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Substituents | - Furopyridine
- Pyridine
- Heteroaromatic compound
- Furan
- Oxacycle
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Furo[3,2-b]pyridine GC-MS (Non-derivatized) - 70eV, Positive | splash10-014i-5900000000-0e327068641881d3c6b5 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Furo[3,2-b]pyridine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Furo[3,2-b]pyridine 10V, Positive-QTOF | splash10-00di-0900000000-0e7b8f26b3bbd86a97ce | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Furo[3,2-b]pyridine 20V, Positive-QTOF | splash10-006x-9600000000-b527849551ecddfc3b90 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Furo[3,2-b]pyridine 40V, Positive-QTOF | splash10-0f76-9000000000-ec5f081e04dbff07beec | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Furo[3,2-b]pyridine 10V, Negative-QTOF | splash10-014i-0900000000-d0736534b1b53c3585ca | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Furo[3,2-b]pyridine 20V, Negative-QTOF | splash10-014i-0900000000-d0736534b1b53c3585ca | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Furo[3,2-b]pyridine 40V, Negative-QTOF | splash10-014i-0900000000-d0736534b1b53c3585ca | 2021-10-12 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum |
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